Mon Jul 04 14:28:49.204 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 14:28:49.207 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Concentration Quantification\Plate01\D6_OS_Plate01_D6\1\pdata\1
Mon Jul 04 14:28:49.215 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 14:28:49.219 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 14:28:49.221 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 14:28:49.236 CEST 2022: No HSQC data available
Mon Jul 04 14:28:49.249 CEST 2022: No C13 data available
Mon Jul 04 14:28:49.261 CEST 2022: No HMBC data available
Mon Jul 04 14:28:49.269 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 14:28:49.287 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 14:28:49.378 CEST 2022: Structure is used: true
Mon Jul 04 14:28:49.400 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Concentration Quantification/Plate01/D6_OS_Plate01_D6/1/D6_OS_Plate1_D6-3708c02e-e654-4701-9a45-db9dc959fd9f.mol
Mon Jul 04 14:28:49.402 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 14:28:49.408 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 14:28:49.411 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 14:28:49.413 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 14:28:49.416 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 14:28:49.418 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 14:28:49.420 CEST 2022: Spectrum is suppressed.
Mon Jul 04 14:28:49.423 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 14:28:49.427 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 14:28:49.429 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 14:28:49.432 CEST 2022: Expected impurity: TMS
Mon Jul 04 14:28:49.435 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 14:28:49.437 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 14:28:49.440 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 14:28:49.442 CEST 2022: RMSD noise: 31010059.236 (-2.860/-3.359)
Mon Jul 04 14:28:49.444 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 14:28:49.447 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 14:28:49.451 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 14:28:49.476 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 14:28:49.593 CEST 2022: Number of Peaks: (110, 12)
Mon Jul 04 14:28:49.596 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 14:28:49.598 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 14:28:49.611 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 14:28:49.614 CEST 2022: Signal-to-Noise ratio: 5153.74 (2.224 ppm)
Mon Jul 04 14:28:49.616 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 14:28:49.619 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 14:28:49.621 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 14:28:49.650 CEST 2022: Number of Multiplets: 151
Mon Jul 04 14:28:49.653 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 14:28:49.886 CEST 2022: Number of Peak Cluster: 36
Mon Jul 04 14:28:49.892 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.24 s.
Mon Jul 04 14:28:49.902 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 14:28:50.078 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 14:28:50.087 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 14:28:50.092 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 14:28:50.097 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 14:28:50.099 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 14:28:50.102 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 14:28:50.161 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.06 s.
Mon Jul 04 14:28:50.205 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 14:28:50.256 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 14:28:50.619 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 14:28:50.638 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 14:28:50.640 CEST 2022: CMC-q finished in 1.44 s.
